⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL11713974 | 0.97 | TLR4 (0.32) | — | |
| SCHEMBL7635604 | 0.80 | — | — | |
| SCHEMBL7635477 | 0.80 | — | — | |
| SCHEMBL7708482 | 0.78 | ESR2 (0.35) | — | |
| SCHEMBL4136281 | 0.77 | — | — | |
| SCHEMBL402407 | 0.77 | — | — | |
| SCHEMBL80431 | 0.77 | KDM1A (0.45) | — | |
| SCHEMBL122872 | 0.77 | KDM1A (0.50) | — | |
| SCHEMBL1904517 | 0.77 | KDM1A (0.50) | — | |
| SCHEMBL22909937 | 0.77 | TLR4 (0.31) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8404792-B2 | Cyclobutene polymers and methods of making the same | North Carolina Sate University (US) | 2013-03-26 | — | — | US | disclosed |
| US-8030424-B2 | Cyclobutene polymers and methods of making the same | NORTH CAROLINA STATE UNIVERSITY (US) | 2011-10-04 | — | — | US | disclosed |
| US-20110003954-A1 | CYCLOBUTENE POLYMERS AND METHODS OF MAKING THE SAME | NORTH CAROLINA STATE UNIVERSITY | 2011-01-06 | — | — | US | disclosed |
| WO-2008024241-A2 | CYCLOBUTENE POLYMERS AND METHODS OF MAKING THE SAME | NORTH CAROLINA STATE UNIVERSITY (US) | 2008-02-28 | — | — | WO | disclosed |